Geometry & MOs

Info

ID:	309841
PubChem CID:	126561963
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	520.213536
ΔH_f, kcal/mol:	-31.28
Dipole, Da:	1.48
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-c]pyridin-2-ylidene]-5-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CN(C2=N1)[C@@H]3C[C@@H](C=C3)O)C(=O)N)N

DOS

IR

Vibrations